PC(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z))

Properties Image MNX_ID MNXM70275 reference lipidmapsM:LMGP01011943 formula C47H82NO8P global charge 0 mol weight 820.146 InChIKey LHAVZTQJQCJUQH-PISFEEDUSA-N InChI InChI=1S/C47H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22-23,25-27,31,33,45H,6-7,9,11-13,15,17-19,21,24,28-30,32,34-44H2,1-5H3/b10-8-,16-14-,22-20-,25-23-,27-26-,33-31-/t45-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCC MNX internals InChI (mnx) InChI=1/C47H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22-23,25-27,31,33,45H,6-7,9,11-13,15,17-19,21,24,28-30,32,34-44H2,1-5H3/b10-8-,16-14-,22-20-,25-23-,27-26-,33-31-/t45-/m1/s1 SMILES (mnx) [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:25]=[CH:23]\[CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:50]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0